4-[(2-ethoxycarbonyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(2-ethoxycarbonyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(2-ethoxycarbonylthiazol-4-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(2-ethoxycarbonyl-4-thiazolyl)methylthio]benzoic acid IUPAC Name: 4-[(2-ethoxycarbonyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(2-carbethoxythiazol-4-yl)methylthio]benzoic acid Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H13NO4S2/c1-2-19-14(18)12-15-10(8-21-12)7-20-11-5-3-9(4-6-11)13(16)17/h3-6,8H,2,7H2,1H3,(H,16,17)